Formula: C7H6Cl2On November 30, 2020 ,《Novel Benzoxazin-3-one Derivatives: Design, Synthesis, Molecular Modeling, Anti-HIV-1 and Integrase Inhibitory Assay》 appeared in Medicinal Chemistry (Sharjah, United Arab Emirates). The author of the article were Safakish, Mahdieh; Hajimahdi, Zahra; Vahabpour, Rouhollah; Zabihollahi, Rezvan; Zarghi, Afshin. The article conveys some information:
Integrase is a validated drug target for anti-HIV-1 therapy. The second generation integrase inhibitors display π-stacking interaction ability with 3′-end nucleotide as a streamlined metal chelating pharmacophore. In this study, we introduced benzoxazin-3-one scaffold for integrase inhibitory potential as bioisostere replacement strategy of 2-benzoxazolinone. Mol. modeling studies revealed that amide functionality alongside oxadiazole heteroatoms and sulfur in the second position of oxadiazole ring could mimic the metal chelating pharmacophore. The halobenzyl ring occupies hydrophobic site created by the cytidylate nucleotide (DC-16). The most potent and selective compound displayed 110μM IC50 with a selectivity index of more than 2. In the experimental materials used by the author, we found 3-Chlorobenzylchloride(cas: 620-20-2Formula: C7H6Cl2)
3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Formula: C7H6Cl2
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics